Research Articles by Mohit S Swadia
Plasma Sources Science and Technology, 2021
We report the results of calculations of elastic and inelastic (ionization and excitation) cross ... more We report the results of calculations of elastic and inelastic (ionization and excitation) cross sections for electron scattering from perfluoroketone molecules, CxF2xO (x = 1-6) over a wide energy range, from ∼the ionization potential to 5 keV. These molecules have been determined to have extremely low global warming potentials and therefore may have applications in next generation gas discharges and plasma reactors. The results are derived using the complex scattering potential-ionization contribution method to investigate ionization cross sections QION and are found to be in good agreement with the available data. The spherical complex optical potential formalism is used to evaluate elastic (QEL), inelastic (QINEL) and total cross sections (QT). This study is a maiden effort to report summed total excitation cross section (QEXC.), QION and QINEL for CF2O and C2F4O, and QEL and QT for CxF2xO (x = 1-6). The study includes various correlation analyses and a prediction of the dipole polarizability.
Planetary and Space Science, Elsevier, 2019
In present work electron induced processes with important astro-compounds found in the tholins of... more In present work electron induced processes with important astro-compounds found in the tholins of Titan are investigated. We report calculated total elastic cross sections Q el , total inelastic cross sections Q inel , total ioni-zation cross sections Q ion , total excitation cross sections P Q exc and total cross sections Q T for hydrogen cyanide (HCN), cyanoacetylene (HCCCN), vinyl cyanide (CH 2 CHCN), methanimine (CH 2 NH) and ethanimine (CH 3 CHNH) on electron impact for energies from ionization threshold to 5 keV. We have employed the Spherical Complex Optical Potential (SCOP) formalism to investigate elastic as well as inelastic processes and used Complex Scattering Potential-ionization contribution (CSP-ic) method to derive ionization cross sections. In absence of any theoretical or experimental data of ionization cross sections except for HCN and HCCCN, we have computed Q ion using the Binary-Encounter-Bethe (BEB) method for all these molecules and have found reasonable agreement. This is the maiden attempt to report various total cross sections for all these astro-molecules except HCN and HCCCN.
We report total inelastic, total ionisation and summed total excitation cross sections for electr... more We report total inelastic, total ionisation and summed total excitation cross sections for electron scattering on furan,
tetrahydrofuran (THF) and 2,5-dimethylfuran at energies between the ionisation threshold and 5 keV. We have employed the spherical complex optical potential formalism (SCOP) to calculate the total inelastic cross sections (Qinel) and have used complex scattering potential-ionisation contribution (CSP-ic) method to derive total ionisation cross sections (Qion) and summed total excitation cross sections (Qexc) from the calculated Qinel. We have also computed Qion for these molecules using binary-encounter-Bethe (BEB) approach. We have compared our total cross sections (TCS) with available experimental as well as previous theoretical results and have found good agreement. The results are presented graphically as well as numerically.
International Journal of Mass Spectrometry, Elsevier, Jan 8, 2014
Present paper reports electron impact total cross sections (QT), total elastic cross sections (Qe... more Present paper reports electron impact total cross sections (QT), total elastic cross sections (Qel) and total
inelastic cross sections (Qinel) for DNA and RNA nucleic bases as well as Phosphoricacid from 20 eV to
2000 eV. These components include uracil (C4H4N2O2), thymine (C5H6N2O2), cytosine (C4H5N3O), adenine
(C5H5N5), guanine (C5H5N5O) and phosphoric acid (H3PO4). We have employed spherical complex
optical potential (SCOP) formalism to calculate these total cross sections. Since DNA and RNA are complex
molecules, we have used the group additivity rule which incorporates molecular properties of the target
to evaluate these cross sections rather than the atomic properties as in case of independent atom model
(IAM) and screened corrected additivity rule (SCAR) employed in previous works. The present results for
these complex biomolecules are compared with previous data wherever available.
Electron impact total cross section calculations for CH3SH (methanethiol) from threshold to 5 keV
Molecualr Physics (Taylor & Francis), Jun 11, 2013
We report calculated total elastic cross sections Qel, total ionisation cross sections, Qion, sum... more We report calculated total elastic cross sections Qel, total ionisation cross sections, Qion, summed total excitation cross
sections Qexc and total cross sections QT for CH3SH upon electron impact for energies from ionization threshold to 5 keV. We have employed Spherical Complex Optical Potential (SCOP) formalism to calculate total elastic cross section Qel, and total inelastic cross section Qinel and used Complex Scattering Potential – the ionization contribution (CSP-ic) method to
extract the ionization cross sections, Qion, from the calculated Qinel. The calculated total cross sections are examined as
functions of incident electron energy and are compared with available data wherever possible and overall good agreement is
observed. In this work Qel, Qion, and summed of all Qexc are reported for the first time for CH3SH in this energy range.
International Journal of Mass Spectrometry; Elsevier Publication, Feb 20, 2013
Present paper reports electron impact total ionization cross sections (Qion) for all the componen... more Present paper reports electron impact total ionization cross sections (Qion) for all the components of DNA and RNA molecules from threshold to 2000 eV. We have employed spherical complex optical potential (SCOP) formalism to calculate the total inelastic cross sections and have deduced total ionization cross sections using complex scattering potential-ionization contribution (CSP-ic) method. DNA and RNA being the complex molecules, these cross sections are evaluated using the group additivity rule. The present results find good accord with the available previous theoretical estimates. In absence of experimental data for these biomolecules, the present theoretical estimates prove to be the reference data source. Qion for sugar phosphate backbone of RNA and for complete DNA and RNA units are reported for the first time in this work.
Conference Oral Presentations by Mohit S Swadia
Vibrational excitations Dies off very fast as energy increases. Rotational excitations e.g. H 2 O... more Vibrational excitations Dies off very fast as energy increases. Rotational excitations e.g. H 2 O (Polar molecule) J=0 → 1, Q rot~1 0 -14 cm 2 at E i = 1 eV. Electronic excitations e.g. e -O 2 collisions. Sum-total cross sections of electronic excitations are1 .0 x 10 -16 cm 2 at about 30 eV. Ionization As the ionization channel opens up the continuum transitions begin to dominate. i.e. Ionization process dominates over all excitation processes as energy increases.
Papers by Mohit S Swadia
Electron impact total cross sections for Furan, Tetrahedrofuran and 2, 5-Dimethylefuran (0.1 eV - 5000 eV)
APS, Sep 1, 2013
Scattering of electrons with perfluoroketone molecules
Bulletin of the American Physical Society, Oct 6, 2020
Electron Interactions With Plasma Feed Gases
2017 IEEE International Conference on Plasma Science (ICOPS), 2017
Major feed gases for plasma generation of F atoms are CF 4, SF 6 and NF 3. The etching process is... more Major feed gases for plasma generation of F atoms are CF 4, SF 6 and NF 3. The etching process is determined by creation of F atoms through Dissociative Electron Attachment of CF 4 and by dissociation of CF 4 molecule through electronic excitation and ionization. Hence the estimation of excitation as well as ionization cross sections of e-molecule processes are required. Radicals of feed gases (CFx etc.) play important role in anisotropic etching. Also, restriction of emission of Perfluoro compunds and Global Warming Potential stimulates changes in feed gases. Therefore electron impact studies including computation of various cross sections and investigation of anion formation and resonances are major areas of interest. In this work we report various electron impact total cross sections, resonances and target properties for plasma feed gases and fluoro compounds over an extensive range of impact energies (0.1 eV - 5000 eV). Below 15 eV, we use ab-initio calculations with fixed nuclei approximation employing the molecular R-matrix method 1 and above the threshold of the target we employ the well-established Spherical Complex Optical Potential formalism 2.
Electron-driven processes for furan, tetrahydrofuran and 2, 5-dimethylfuran
Molecular Physics, 2017
ABSTRACT We present the study of electron-induced processes for biomolecules, furan (C4H4O) and t... more ABSTRACT We present the study of electron-induced processes for biomolecules, furan (C4H4O) and tetrahydrofuran (C4H8O) as well as an industrial relevant molecule 2, 5-dimethylfuran (C6H8O) through various total cross sections for impact energies from threshold to 5 keV. We have employed spherical complex optical potential to calculate total cross sections QT and total elastic cross sections Qel. Since these molecules are complex molecules, we have used the group additivity rule which incorporates molecular properties as well as geometry of the target to evaluate these cross sections. Dependence of QT and Qel on number of electrons and correlation of dipole polarisability (α) and ionisation potential (I) with peak of total ionisation cross sections Qion is studied and important inferences are noted. The present results for these applied molecules are compared with previous data wherever available. This is the maiden attempt to report Qel and QT for 2, 5-dimethylfuran.
Theoretical electron impact total cross sections for tetrahydrofuran (C4H8O)
The European Physical Journal D, 2017
Abstract We report electron impact total cross sections for tetrahydrofuran (C4H8O) from ionizati... more Abstract We report electron impact total cross sections for tetrahydrofuran (C4H8O) from ionization threshold to 5 keV. We have employed Spherical Complex Optical Potential (SCOP) to calculate total cross sections QT, total inelastic cross sections Qinel and total elastic cross sections Qel and have used Complex Scattering Potential – ionization contribution (CSP-ic) formalisms to compute total ionization cross sections Qion and summed total excitation cross sections ∑ Qexc. We have compared our cross sections with available experimental as well as theoretical results and have found good agreement wherever available. This is the maiden attempt to report the total excitation cross sections for this target. Graphical abstract
Electron impact total cross sections for furan molecules
Molecular physics-2013-CH3SH
International Journal of Mass Spectrometry, 2014
Electron induced elastic and inelastic processes for perfluoroketone (PFK) molecules
Plasma Sources Science and Technology, 2021
We report the results of calculations of elastic and inelastic (ionization and excitation) cross ... more We report the results of calculations of elastic and inelastic (ionization and excitation) cross sections for electron scattering from perfluoroketone molecules, C x F2x O (x = 1–6) over a wide energy range, from ∼the ionization potential to 5 keV. These molecules have been determined to have extremely low global warming potentials and therefore may have applications in next generation gas discharges and plasma reactors. The results are derived using the complex scattering potential-ionization contribution method to investigate ionization cross sections Q ION and are found to be in good agreement with the available data. The spherical complex optical potential formalism is used to evaluate elastic (Q EL), inelastic (Q INEL) and total cross sections (Q T). This study is a maiden effort to report summed total excitation cross section (∑Q EXC), Q ION and Q INEL for CF2O and C2F4O, and Q EL and Q T for C x F2x O (x = 1–6). The study includes various correlation analyses and a prediction ...
Inelastic processes of electron interactions with halouracils -- cancer therapy agents
Molecular Physics, 2014
The accuracy of the Content should not be relied upon and should be independently verified with p... more The accuracy of the Content should not be relied upon and should be independently verified with primary sources of information. Taylor and Francis shall not be liable for any losses, actions, claims, proceedings, demands, costs, expenses, damages, and other liabilities whatsoever or howsoever caused arising directly or indirectly in connection with, in relation to or arising out of the use of the Content. This article may be used for research, teaching, and private study purposes. Any substantial or systematic reproduction, redistribution, reselling, loan, sub-licensing, systematic supply, or distribution in any form to anyone is expressly forbidden.
DNA-RNA total (IJMS-2014)
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Research Articles by Mohit S Swadia
tetrahydrofuran (THF) and 2,5-dimethylfuran at energies between the ionisation threshold and 5 keV. We have employed the spherical complex optical potential formalism (SCOP) to calculate the total inelastic cross sections (Qinel) and have used complex scattering potential-ionisation contribution (CSP-ic) method to derive total ionisation cross sections (Qion) and summed total excitation cross sections (Qexc) from the calculated Qinel. We have also computed Qion for these molecules using binary-encounter-Bethe (BEB) approach. We have compared our total cross sections (TCS) with available experimental as well as previous theoretical results and have found good agreement. The results are presented graphically as well as numerically.
inelastic cross sections (Qinel) for DNA and RNA nucleic bases as well as Phosphoricacid from 20 eV to
2000 eV. These components include uracil (C4H4N2O2), thymine (C5H6N2O2), cytosine (C4H5N3O), adenine
(C5H5N5), guanine (C5H5N5O) and phosphoric acid (H3PO4). We have employed spherical complex
optical potential (SCOP) formalism to calculate these total cross sections. Since DNA and RNA are complex
molecules, we have used the group additivity rule which incorporates molecular properties of the target
to evaluate these cross sections rather than the atomic properties as in case of independent atom model
(IAM) and screened corrected additivity rule (SCAR) employed in previous works. The present results for
these complex biomolecules are compared with previous data wherever available.
sections Qexc and total cross sections QT for CH3SH upon electron impact for energies from ionization threshold to 5 keV. We have employed Spherical Complex Optical Potential (SCOP) formalism to calculate total elastic cross section Qel, and total inelastic cross section Qinel and used Complex Scattering Potential – the ionization contribution (CSP-ic) method to
extract the ionization cross sections, Qion, from the calculated Qinel. The calculated total cross sections are examined as
functions of incident electron energy and are compared with available data wherever possible and overall good agreement is
observed. In this work Qel, Qion, and summed of all Qexc are reported for the first time for CH3SH in this energy range.
Conference Oral Presentations by Mohit S Swadia
Papers by Mohit S Swadia
tetrahydrofuran (THF) and 2,5-dimethylfuran at energies between the ionisation threshold and 5 keV. We have employed the spherical complex optical potential formalism (SCOP) to calculate the total inelastic cross sections (Qinel) and have used complex scattering potential-ionisation contribution (CSP-ic) method to derive total ionisation cross sections (Qion) and summed total excitation cross sections (Qexc) from the calculated Qinel. We have also computed Qion for these molecules using binary-encounter-Bethe (BEB) approach. We have compared our total cross sections (TCS) with available experimental as well as previous theoretical results and have found good agreement. The results are presented graphically as well as numerically.
inelastic cross sections (Qinel) for DNA and RNA nucleic bases as well as Phosphoricacid from 20 eV to
2000 eV. These components include uracil (C4H4N2O2), thymine (C5H6N2O2), cytosine (C4H5N3O), adenine
(C5H5N5), guanine (C5H5N5O) and phosphoric acid (H3PO4). We have employed spherical complex
optical potential (SCOP) formalism to calculate these total cross sections. Since DNA and RNA are complex
molecules, we have used the group additivity rule which incorporates molecular properties of the target
to evaluate these cross sections rather than the atomic properties as in case of independent atom model
(IAM) and screened corrected additivity rule (SCAR) employed in previous works. The present results for
these complex biomolecules are compared with previous data wherever available.
sections Qexc and total cross sections QT for CH3SH upon electron impact for energies from ionization threshold to 5 keV. We have employed Spherical Complex Optical Potential (SCOP) formalism to calculate total elastic cross section Qel, and total inelastic cross section Qinel and used Complex Scattering Potential – the ionization contribution (CSP-ic) method to
extract the ionization cross sections, Qion, from the calculated Qinel. The calculated total cross sections are examined as
functions of incident electron energy and are compared with available data wherever possible and overall good agreement is
observed. In this work Qel, Qion, and summed of all Qexc are reported for the first time for CH3SH in this energy range.